1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

C10H17IN4O — CID 75494136

IUPAC1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESC/N=C(\NC)NCCOc1cccnc1.I
InChIInChI=1S/C10H16N4O.HI/c1-11-10(12-2)14-6-7-15-9-4-3-5-13-8-9;/h3-5,8H,6-7H2,1-2H3,(H2,11,12,14);1H
InChIKeyQMZMQZSHVUQRHZ-UHFFFAOYSA-N
MW336.18 g/mol
LogP0.87
Rot. Bonds4

About 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide

1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (PubChem CID 75494136) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
PubChem CID75494136
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
SMILESC/N=C(\NC)NCCOc1cccnc1.I
InChIInChI=1S/C10H16N4O.HI/c1-11-10(12-2)14-6-7-15-9-4-3-5-13-8-9;/h3-5,8H,6-7H2,1-2H3,(H2,11,12,14);1H
InChIKeyQMZMQZSHVUQRHZ-UHFFFAOYSA-N
XLogP0.87
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-phenoxyethyl)-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834188
1-hexyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111835312
1-cyclopropyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111335956
1-benzyl-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111546323
1-[(4-chlorophenyl)methyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111834838
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111840193
1,2-dimethyl-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 110914105
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111839776
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111839632
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111980936
2-methyl-1-[(2-prop-2-enoxyphenyl)methyl]-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111983111
1-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dimethylguanidine;hydroiodide
CID 110917591

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The IUPAC name of 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide (CID 75494136) is 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The canonical SMILES for 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is C/N=C(\NC)NCCOc1cccnc1.I.
What is the InChIKey of 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
The InChIKey is QMZMQZSHVUQRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.HI/c1-11-10(12-2)14-6-7-15-9-4-3-5-13-8-9;/h3-5,8H,6-7H2,1-2H3,(H2,11,12,14);1H.
What are the key properties of 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide?
1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide has a molecular weight of 336.18 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 75494136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).